4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C11H16N4O2S2 — CID 104616998

IUPAC4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2cc(N)cs2)n[nH]1
InChIInChI=1S/C11H16N4O2S2/c1-11(2,3)8-5-9(14-13-8)15-19(16,17)10-4-7(12)6-18-10/h4-6H,12H2,1-3H3,(H2,13,14,15)
InChIKeyJKXRYHQODIAEFW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.15
Rot. Bonds3

About 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 104616998) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID104616998
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2cc(N)cs2)n[nH]1
InChIInChI=1S/C11H16N4O2S2/c1-11(2,3)8-5-9(14-13-8)15-19(16,17)10-4-7(12)6-18-10/h4-6H,12H2,1-3H3,(H2,13,14,15)
InChIKeyJKXRYHQODIAEFW-UHFFFAOYSA-N
XLogP2.15
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 104616998) is 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2cc(N)cs2)n[nH]1.
What is the InChIKey of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is JKXRYHQODIAEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-11(2,3)8-5-9(14-13-8)15-19(16,17)10-4-7(12)6-18-10/h4-6H,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 104616998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).